SCHEMBL28048759

SCHEMBL28048759

O=C(O)CCCc1cc2ccccc2[nH]1.O=C(O)CCCc1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
CYP1A2 P05177 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
CHRM1 P11229 1/20 0.49
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
DAO P14920 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL143130 1.00 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
SCHEMBL29353585 1.00 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
SCHEMBL3887747 0.98 MTNR1A (0.55) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
Potassium SCHEMBL3895695 0.98 MTNR1A (0.55) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
Ammonia Solution, Strong SCHEMBL28825523 0.98 MTNR1A (0.55) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
Naphthalene SCHEMBL28348414 0.98 MTNR1A (0.55) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
Acetic Acid SCHEMBL28098184 0.95 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
SCHEMBL6256471 0.95 MTNR1A (0.55) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
Alcohol SCHEMBL27873529 0.94 MTNR1A (0.55) MTNR1AMTNR1BCYP1A2LOXL2CHRM1
Naphthalene SCHEMBL28098399 0.94 MTNR1A (0.58) MTNR1AMTNR1BCYP1A2LOXL2CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108541589-A A kind of rapid propagation method of the bletilla striata 恩施土家族苗族自治州农业科学院 2018-09-18 CN disclosed
CN-103874764-B Gene and the utilization thereof of Codocyte pigment p450 独立行政法人农业生物资源研究所 2016-06-08 CN disclosed
CN-103635086-B Salt, garderning pesticide compoistion and method of use NIHON NOHYAKU CO.,LTD. (JP) 2016-05-18 CN disclosed